PDB: 71589 件ウェブページステータス検索Chemie searchBIRD

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5C1W	PDE10 complexed with 4,6-dichloro-2-cyclopropyl-5-methyl-pyrimidine 分子名称: 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine, MAGNESIUM ION, ZINC ION, ... 著者 Yan, Y. 登録日 2015-06-15 公開日 2015-09-30 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J.Med.Chem., 58, 2015
5BX0	An Automated Microscale Thermophoresis Screening Approach for Fragment-Based Lead Discovery 分子名称: Dual specificity mitogen-activated protein kinase kinase 1, ethyl 2H-indazole-5-carboxylate 著者 Vallee, F, Steier, V, Rak, A. 登録日 2015-06-08 公開日 2015-12-23 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.93 Å) 主引用文献 An Automated Microscale Thermophoresis Screening Approach for Fragment-Based Lead Discovery. J Biomol Screen, 21, 2016
5C04	Crystal structure of the F37H mutant AhpE from Mycobacterium tuberculosis 分子名称: Putative peroxiredoxin MT2298 著者 Pallo, A, Dufe, V.T, Messens, J. 登録日 2015-06-12 公開日 2016-07-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 The active site architecture in peroxiredoxins: a case study on Mycobacterium tuberculosis AhpE. Chem.Commun.(Camb.), 52, 2016
5C2A	PDE10 complexed with 6-chloro-2-cyclopropyl-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-pyrimidin-4-amine 分子名称: 6-chloro-2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... 著者 Yan, Y. 登録日 2015-06-15 公開日 2015-09-30 最終更新日 2015-10-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J.Med.Chem., 58, 2015
5C28	PDE10 complexed with 6-chloro-2-cyclopropyl-5-methyl-pyrimidin-4-amine 分子名称: 6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... 著者 Yan, Y. 登録日 2015-06-15 公開日 2015-09-30 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J.Med.Chem., 58, 2015
5C2E	PDE10 complexed with6-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-2-[2-(2-pyridyl)ethoxy]pyrimidin-4-amine 分子名称: 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine, MAGNESIUM ION, ... 著者 Yan, Y. 登録日 2015-06-15 公開日 2015-12-02 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J.Med.Chem., 58, 2015
5C1V	CRYSTAL STRUCTURE ANALYSIS OF CATALYTIC SUBUNIT OF HUMAN CALCINEURIN 分子名称: FE (III) ION, PHOSPHATE ION, Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform, ... 著者 Guasch, A, Fita, I, Perez-Luque, R, Aparicio, D, Aranguren-Ibanez, A, Perez-Riba, M. 登録日 2015-06-15 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.35 Å) 主引用文献 Calcineurin Undergoes a Conformational Switch Evoked via Peptidyl-Prolyl Isomerization. Plos One, 10, 2015
5C29	PDE10 complexed with 6-chloro-2-cyclopropyl-5-methyl-N-propyl-pyrimidin-4-amine 分子名称: 6-chloro-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... 著者 Yan, Y. 登録日 2015-06-15 公開日 2015-09-30 最終更新日 2015-10-21 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J.Med.Chem., 58, 2015
5CFD	Crystal Structure of DTT treated Human Cardiovirus SAFV-3 分子名称: VP1, VP2, VP3, ... 著者 Mullapudi, E, Plevka, P. 登録日 2015-07-08 公開日 2016-06-15 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure and Genome Release Mechanism of the Human Cardiovirus Saffold Virus 3. J.Virol., 90, 2016
7OFK	Ligand complex of RORg LBD 分子名称: (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... 著者 Xue, Y, Aagaard, A, Narjes, F. 登録日 2021-05-05 公開日 2022-03-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2. J.Med.Chem., 64, 2021
7OFI	Ligand complex of RORg LBD 分子名称: (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... 著者 Xue, Y, Aagaard, A, Narjes, F. 登録日 2021-05-05 公開日 2022-03-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.953 Å) 主引用文献 AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2. J.Med.Chem., 64, 2021
5CH8	Crystal structure of MDLA N225Q mutant form Penicillium cyclopium 分子名称: CHLORIDE ION, GLYCEROL, Mono- and diacylglycerol lipase, ... 著者 Xu, J, Xu, H, Hou, S, Liu, J. 登録日 2015-07-10 公開日 2016-04-20 最終更新日 2017-09-27 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Lipase-Driven Epoxidation Is A Two-Stage Synergistic Process ChemistrySelect, 4, 2016
5CKW	Crystal structure of LegK4_AMPPNP Kinase 分子名称: CALCIUM ION, LegK4, MAGNESIUM ION, ... 著者 Flayhan, A, Terradot, L. 登録日 2015-07-15 公開日 2015-10-14 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 The structure of Legionella pneumophila LegK4 type four secretion system (T4SS) effector reveals a novel dimeric eukaryotic-like kinase. Sci Rep, 5, 2015
5C2H	PDE10 complexed with 6-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-2-[3-(2-quinolyl)propoxy]pyrimidin-4-amine 分子名称: 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine, MAGNESIUM ION, ... 著者 Yan, Y. 登録日 2015-06-15 公開日 2015-10-07 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J.Med.Chem., 58, 2015
5CFC	Crystal Structure of Human Cardiovirus SAFV-3 分子名称: VP1, VP2, VP3, ... 著者 Mullapudi, E, Plevka, P. 登録日 2015-07-08 公開日 2016-06-15 最終更新日 2018-04-11 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure and Genome Release Mechanism of the Human Cardiovirus Saffold Virus 3. J.Virol., 90, 2016
5CP6	Nucleosome Core Particle with Adducts from the Anticancer Compound, [(eta6-5,8,9,10-tetrahydroanthracene)Ru(ethylenediamine)Cl][PF6] 分子名称: (ethane6-5,8,9,10-tetrahydroanthracene)Ru(II)(ethylene-diamine)Cl, DNA (145-MER), Histone H2A, ... 著者 Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. 登録日 2015-07-21 公開日 2016-06-01 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 An Organometallic Compound which Exhibits a DNA Topology-Dependent One-Stranded Intercalation Mode. Angew.Chem.Int.Ed.Engl., 55, 2016
5CLR	Crystal structure of LegK4_APO Kinase 分子名称: LegK4 著者 Flayhan, A, Terradot, L. 登録日 2015-07-16 公開日 2015-10-14 実験手法 X-RAY DIFFRACTION (3.706 Å) 主引用文献 The structure of Legionella pneumophila LegK4 type four secretion system (T4SS) effector reveals a novel dimeric eukaryotic-like kinase. Sci Rep, 5, 2015
5CEI	Crystal structure of CDK8:Cyclin C complex with compound 22 分子名称: 1,2-ETHANEDIOL, 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide, Cyclin-C, ... 著者 Kiefer, J.R, Schneider, E.V, Maskos, K, Koehler, M.F.T. 登録日 2015-07-06 公開日 2016-02-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells. Acs Med.Chem.Lett., 7, 2016
1RG4	SP-B C-terminal peptide in organic solvent (HFIP) 分子名称: Pulmonary surfactant-associated protein B 著者 Booth, V, Waring, A.J, Walther, F.J, Keough, K.M. 登録日 2003-11-11 公開日 2004-09-28 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 NMR Structures of the C-Terminal Segment of Surfactant Protein B in Detergent Micelles and Hexafluoro-2-propanol. Biochemistry, 43, 2004
5CW6	Structure of metal dependent enzyme DrBRCC36 分子名称: DrBRCC36, ZINC ION 著者 Zeqiraj, E. 登録日 2015-07-27 公開日 2015-09-16 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (3.193 Å) 主引用文献 Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function. Mol.Cell, 59, 2015
5CVW	CRYSTAL STRUCTURE OF RTX DOMAIN BLOCK V OF ADENYLATE CYCLASE TOXIN FROM BORDETELLA PERTUSSIS 分子名称: 1,2-ETHANEDIOL, Bifunctional hemolysin/adenylate cyclase, CALCIUM ION, ... 著者 Motlova, L, Barinka, C, Bumba, L. 登録日 2015-07-27 公開日 2015-09-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Calcium-Driven Folding of RTX Domain beta-Rolls Ratchets Translocation of RTX Proteins through Type I Secretion Ducts. Mol.Cell, 62, 2016
5D28	Complex of GM-CSF/IL-2 inhibition factor with Granulocyte-macrophage colony-stimulating factor 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GM-CSF/IL-2 inhibition factor, ... 著者 Felix, J, Savvides, S.N. 登録日 2015-08-05 公開日 2016-11-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.845 Å) 主引用文献 Structural basis of GM-CSF and IL-2 sequestration by the viral decoy receptor GIF. Nat Commun, 7, 2016
1RG3	SP-B C-terminal peptide in SDS micelles 分子名称: Pulmonary surfactant-associated protein B 著者 Booth, V, Waring, A.J, Walther, F.J, Keough, K.M. 登録日 2003-11-11 公開日 2004-09-28 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 NMR Structures of the C-Terminal Segment of Surfactant Protein B in Detergent Micelles and Hexafluoro-2-propanol. Biochemistry, 43, 2004
5CY3	SYK catalytic domain complexed with a potent and orally bioavailable benzisothiazole inhibitor 分子名称: (5R)-5-[(1R)-1-{[6-(1-methyl-1H-pyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy}ethyl]-1,3-oxazolidin-2-one, Tyrosine-protein kinase SYK 著者 Lee, C.C. 登録日 2015-07-30 公開日 2015-09-23 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Orally bioavailable Syk inhibitors with activity in a rat PK/PD model. Bioorg.Med.Chem.Lett., 25, 2015
5AJA	Crystal structure of mandrill SAMHD1 (amino acid residues 1-114) bound to Vpx isolated from mandrill and human DCAF1 (amino acid residues 1058-1396) 分子名称: PROTEIN VPRBP, SAM DOMAIN AND HD DOMAIN-CONTAINING PROTEIN, VPX PROTEIN, ... 著者 Schwefel, D, Boucherit, V.C, Christodoulou, E, Walker, P.A, Stoye, J.P, Bishop, K.N, Taylor, I.A. 登録日 2015-02-20 公開日 2015-04-22 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.649 Å) 主引用文献 Molecular Determinants for Recognition of Divergent Samhd1 Proteins by the Lentiviral Accessory Protein Vpx. Cell Host Microbe., 17, 2015

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